6-bromo-N-(5-bromo-1,3-thiazol-2-yl)pyridine-3-carboxamide

C9H5Br2N3OS — CID 66462491

IUPAC6-bromo-N-(5-bromo-1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ncc(Br)s1)c1ccc(Br)nc1
InChIInChI=1S/C9H5Br2N3OS/c10-6-2-1-5(3-12-6)8(15)14-9-13-4-7(11)16-9/h1-4H,(H,13,14,15)
InChIKeyLKEKIXRCQTUZEX-UHFFFAOYSA-N
MW363.03 g/mol
LogP3.32
Rot. Bonds2

About 6-bromo-N-(5-bromo-1,3-thiazol-2-yl)pyridine-3-carboxamide

6-bromo-N-(5-bromo-1,3-thiazol-2-yl)pyridine-3-carboxamide (PubChem CID 66462491) has the molecular formula C9H5Br2N3OS and a molecular weight of 363.03 g/mol. Its IUPAC name is 6-bromo-N-(5-bromo-1,3-thiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(5-bromo-1,3-thiazol-2-yl)pyridine-3-carboxamide
PubChem CID66462491
Molecular FormulaC9H5Br2N3OS
Molecular Weight363.03 g/mol
Exact Mass360.85
IUPAC Name6-bromo-N-(5-bromo-1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ncc(Br)s1)c1ccc(Br)nc1
InChIInChI=1S/C9H5Br2N3OS/c10-6-2-1-5(3-12-6)8(15)14-9-13-4-7(11)16-9/h1-4H,(H,13,14,15)
InChIKeyLKEKIXRCQTUZEX-UHFFFAOYSA-N
XLogP3.32
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.03
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 66463454
N-(5-bromo-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide
CID 60654890
N-(5-bromo-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide
CID 60784493
N-(5-bromo-1,3-thiazol-2-yl)-3-hydroxybenzamide
CID 60654759
3-amino-N-(5-bromo-1,3-thiazol-2-yl)benzamide
CID 60789785
N-(5-bromo-1,3-thiazol-2-yl)-1H-indole-6-carboxamide
CID 63749143
N-(5-bromo-1,3-thiazol-2-yl)-2-(methylamino)pyridine-4-carboxamide
CID 62181432
N-(5-bromo-1,3-thiazol-2-yl)pyrimidine-4-carboxamide
CID 130821730
N-(5-bromo-1,3-thiazol-2-yl)-2-fluorobenzamide
CID 60654750
N-(5-bromo-1,3-thiazol-2-yl)furan-2-carboxamide
CID 60655632
N-(5-bromo-1,3-thiazol-2-yl)-4-fluoro-2-hydroxybenzamide
CID 53309399
6-bromo-N-(2-iodophenyl)pyridine-3-carboxamide
CID 66465043

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(5-bromo-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-(5-bromo-1,3-thiazol-2-yl)pyridine-3-carboxamide (CID 66462491) is 6-bromo-N-(5-bromo-1,3-thiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(5-bromo-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(5-bromo-1,3-thiazol-2-yl)pyridine-3-carboxamide is O=C(Nc1ncc(Br)s1)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-(5-bromo-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is LKEKIXRCQTUZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Br2N3OS/c10-6-2-1-5(3-12-6)8(15)14-9-13-4-7(11)16-9/h1-4H,(H,13,14,15).
What are the key properties of 6-bromo-N-(5-bromo-1,3-thiazol-2-yl)pyridine-3-carboxamide?
6-bromo-N-(5-bromo-1,3-thiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 363.03 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(5-bromo-1,3-thiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 66462491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).